3BRT

nemo/ikk association domain structure

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -2.8808
• Hub Node: A(3)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-18.7489	-13.8175	-195.017	-227.5835	79	11	7	8260	1	13	19
A-C	0.0	0.0	-6.1208	-6.1208	20	0	0	444	0	0	0
A-D	0.0	-2.5181	-183.006	-185.524	82	8	9	7696	0	19	15
B-C	-7.4654	-20.3831	-197.084	-224.9326	88	6	7	8611	2	22	19
B-D	-22.7614	-63.1479	-166.212	-252.1213	93	7	16	7885	3	28	29
C-D	-24.3751	7.0161	-181.133	-198.492	85	5	7	7960	1	18	23

Interface residues

• A-B: ALA100B, ALA64B, ALA710A, ALA712A, ALA722A, ARG101B, ARG106B, ARG62B, ARG728A, ARG73B, ARG75B, ASN69B, ASN721A, ASN732A, ASN736A, ASP63B, ASP725A, ASP738A, CYS716A, CYS76B, CYS95B, GLN67B, GLN724A, GLN730A, GLN83B, GLN86B, GLN98B, GLU57B, GLU60B, GLU706A, GLU720A, GLU729A, GLU74B, GLU77B, GLU78B, GLU88B, GLU89B, GLU91B, GLU99B, GLY731A, HIS713A, HIS81B, ILE65B, ILE71B, ILE723A, LEU103B, LEU107B, LEU61B, LEU708A, LEU715A, LEU718A, LEU719A, LEU72B, LEU737A, LEU742A, LEU79B, LEU80B, LEU93B, LYS102B, LYS90B, LYS96B, MET734A, MET735A, PHE82B, PHE92B, PHE97B, SER68B, SER705A, SER733A, SER740A, SER85B, THR717A, THR726A, THR743A, TRP739A, TRP741A, VAL104B, VAL709A, VAL727A
• A-C: ALA722A, ALA722C, CYS716A, CYS716C, ILE723A, ILE723C, LEU719A, LEU719C, LEU742A, LEU742C, MET734A, MET734C, THR726A, THR726C, TRP739A, TRP739C, TRP741A, TRP741C, VAL727A, VAL727C
• A-D: ALA100D, ALA64D, ALA710A, ALA712A, ALA722A, ARG101D, ARG62D, ARG66D, ARG728A, ARG73D, ARG75D, ARG87D, ASN58D, ASN69D, ASN714A, ASN721A, ASN732A, ASN736A, ASP63D, ASP725A, ASP738A, CYS716A, CYS76D, CYS95D, GLN59D, GLN67D, GLN70D, GLN724A, GLN730A, GLN83D, GLN86D, GLN98D, GLU105D, GLU706A, GLU707A, GLU711A, GLU720A, GLU729A, GLU74D, GLU77D, GLU78D, GLU89D, GLU91D, GLU99D, HIS713A, HIS81D, ILE65D, ILE71D, ILE723A, LEU103D, LEU61D, LEU708A, LEU715A, LEU718A, LEU719A, LEU72D, LEU737A, LEU742A, LEU79D, LEU80D, LEU93D, LYS102D, LYS90D, LYS96D, MET734A, MET735A, MET94D, PHE82D, PHE92D, PHE97D, SER68D, SER705A, SER733A, SER740A, THR717A, THR726A, THR743A, TRP739A, TRP741A, VAL104D, VAL709A, VAL727A
• B-C: ALA100B, ALA64B, ALA702C, ALA710C, ALA712C, ALA722C, ALA84B, ARG101B, ARG62B, ARG66B, ARG728C, ARG73B, ARG75B, ARG87B, ASN58B, ASN69B, ASN714C, ASN721C, ASN732C, ASN736C, ASP63B, ASP725C, ASP738C, CYS716C, CYS76B, CYS95B, GLN59B, GLN67B, GLN70B, GLN724C, GLN730C, GLN83B, GLN86B, GLN98B, GLU105B, GLU706C, GLU707C, GLU711C, GLU720C, GLU729C, GLU74B, GLU77B, GLU78B, GLU89B, GLU91B, GLU99B, GLY731C, HIS713C, HIS81B, ILE65B, ILE71B, ILE723C, LEU103B, LEU61B, LEU708C, LEU715C, LEU718C, LEU719C, LEU72B, LEU737C, LEU742C, LEU79B, LEU80B, LEU93B, LYS102B, LYS703C, LYS704C, LYS90B, LYS96B, MET734C, MET735C, MET94B, PHE82B, PHE92B, PHE97B, PRO701C, SER68B, SER705C, SER733C, SER740C, THR717C, THR726C, THR743C, TRP739C, TRP741C, VAL104B, VAL709C, VAL727C
• B-D: ALA100B, ALA100D, ALA64B, ALA64D, ARG101B, ARG101D, ARG106B, ARG106D, ARG53B, ARG53D, ARG62B, ARG62D, ARG66B, ARG66D, ARG75B, ARG75D, ASN58B, ASN58D, ASN69B, ASN69D, ASP63B, ASP63D, CYS54B, CYS54D, CYS76D, CYS95D, GLN52B, GLN52D, GLN59B, GLN59D, GLN67D, GLN83B, GLN83D, GLN86B, GLN86D, GLN98D, GLU105B, GLU105D, GLU110D, GLU49B, GLU49D, GLU56B, GLU56D, GLU57B, GLU57D, GLU60B, GLU60D, GLU89B, GLU89D, GLU99B, GLU99D, GLY108B, GLY108D, ILE65B, ILE65D, ILE71B, ILE71D, LEU103B, LEU103D, LEU107B, LEU107D, LEU109B, LEU109D, LEU51B, LEU51D, LEU55B, LEU55D, LEU61B, LEU61D, LEU72B, LEU72D, LEU79B, LEU79D, LEU93B, LEU93D, LYS90B, LYS90D, LYS96B, LYS96D, MET94B, MET94D, PHE82B, PHE82D, PHE92B, PHE92D, PHE97B, PHE97D, SER68B, SER68D, THR50B, THR50D, VAL104B, VAL104D
• C-D: ALA100D, ALA64D, ALA710C, ALA712C, ALA722C, ARG101D, ARG53D, ARG62D, ARG728C, ARG73D, ARG75D, ASN58D, ASN69D, ASN721C, ASN732C, ASN736C, ASP63D, ASP725C, ASP738C, CYS54D, CYS716C, CYS76D, CYS95D, GLN59D, GLN67D, GLN724C, GLN730C, GLN83D, GLN86D, GLN98D, GLU56D, GLU57D, GLU60D, GLU706C, GLU707C, GLU720C, GLU729C, GLU74D, GLU77D, GLU78D, GLU88D, GLU89D, GLU91D, GLU99D, GLY731C, HIS713C, HIS81D, ILE65D, ILE71D, ILE723C, LEU103D, LEU107D, LEU61D, LEU708C, LEU715C, LEU718C, LEU719C, LEU72D, LEU737C, LEU742C, LEU79D, LEU80D, LEU93D, LYS102D, LYS704C, LYS90D, LYS96D, MET734C, MET735C, PHE82D, PHE92D, PHE97D, SER68D, SER705C, SER733C, SER740C, SER85D, THR717C, THR726C, THR743C, TRP739C, TRP741C, VAL104D, VAL709C, VAL727C